Abstract
This paper introduces a novel pre-processing method based on optimizing the window size for the Savitzky-Golay smoothing coupled with bandpass filtering to further enhance the prediction performance of the of glucose concentration from both Near Infrared and Mid Infrared spectra. The proposed method is compared to the bandpass filtering with Savitzky-Golay using fixed window size and RReliefF pre-processing technique for further evaluation. The developed prediction models have been validated to predict the concentration of the glucose from both Near and Mid Infrared spectra of a mixture of glucose and human serum albumin in a phosphate buffer solution. The results confirm that the proposed technique enhance prediction performance of the linear calibration models the Principal Component Regression and the Partial Least Squares Regression models and achieve better results than the bandpass filtering with Savitzky-Golay with fixed window size technique.
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[1] M. Blanco and I. Villarroya, “NIR spectroscopy: A rapid-response analytical tool,” TrAC - Trends Anal. Chem., vol. 21, no. 4, pp. 240–250, 2002.
[2] M. A. Arnold, “Non-invasive glucose monitoring,” no. 7, pp. 46–49, 1996.
[3] S. F. Malin, T. L. Ruchti, T. B. Blank, S. N. Thennadil, and S. L. Monfre, “Noninvasive prediction of glucose by near-infrared diffuse reflectance spectroscopy,” Clin. Chem., vol. 45, no. 9, pp. 1651–1658, 1999.
[4] U. A. Müller, B. Mertes, C. Fischbacher, K. U. Jageman, and K. Danzer, “Non-invasive blood glucose monitoring by means of near infrared spectroscopy: methods for improving the reliability of the calibration models.,” Int. J. Artif. Organs, vol. 20, no. 5, pp. 285–290, 1997.
[5] D. M. Haaland and E. V. Thomas, “Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information,” Anal. Chem., vol. 60, no. 11, pp. 1193–1202, 1988.
[6] D. M. Haaland, M. R. Robinson, G. W. Koepp, E. V Thomas, and R. P. Eaton, “Reagentless Near-Infrared Determination of Glucose in Whole Blood Using Multivariate Calibration,” Appl. Spectrosc., vol. 46, no. 10, pp. 1575–1578, Oct. 1992.
[7] L. Zhang, G. W. Small, and M. A. Arnold, “Calibration standardization algorithm for partial least-squares regression: application to the determination of physiological levels of glucose by near-infrared spectroscopy,” Anal. Chem., vol. 74, no. 16, pp. 4097–4108, 2002.
[8] P. H. Garthwaite, “An interpretation of partial least squares,” J. Am. Stat. Assoc., vol. 89, no. 425, pp. 122–127, 1994.
[9] N. Krämer and M. Sugiyama, “The degrees of freedom of partial least squares regression,” J. Am. Stat. Assoc., 2012.
[10] H. Chen, Q. Song, G. Tang, Q. Feng, and L. Lin, “The combined optimization of Savitzky-Golay smoothing and multiplicative scatter correction for FT-NIR PLS models,” ISRN Spectrosc., vol. 2013, 2013.
[11] Å. Rinnan, F. van den Berg, and S. B. Engelsen, “Review of the most common pre-processing techniques for near-infrared spectra,” TrAC - Trends Anal. Chem., vol. 28, no. 10, pp. 1201–1222, 2009.
[12] K. C. Patchava, O. Alrezj, M. Benaissa, and H. Behairy, “Savitzky-Golay coupled with digital bandpass filtering as a pre- processing technique in the quantitative analysis of glucose from near infrared spectra,” vol. 7507918663, pp. 6210–6213, 2016.
[13] A. a. Al-Mbaideen, T. {Bibliography}Rahman, and M. Benaissa, “Determination of glucose concentration from near-infrared spectra using principle component regression coupled with digital bandpass filter,” 2010 IEEE Work. Signal Process. Syst., pp. 243–248, 2010.
[14] G. W. Small, M. A. Arnold, and L. A. Marquardt, “Strategies for coupling digital filtering with partial least-squares regression: Application to the determination of glucose in plasma by Fourier-transform near-infrared spectroscopy,” Anal. Chem., vol. 65, no. 22, pp. 3279–3289, 1993.
[15] A. Savitzky and M. J. E. Golay, “Smoothing and Differentiation of Data by Simplified Least Squares Procedures,” Anal. Chem., vol. 36, no. 8, pp. 1627–1639, 1964.
[16] R. De Maesschalck, F. Estienne, J. Verdú-Andrés, A. Candolfi, V. Centner, F. Despagne, D. Jouan-Rimbaud, B. Walczak, D. L. Massart, S. De Jong, and others, “The development of calibration models for spectroscopic data using principal component regression,” Internet J. Chem., vol. 2, no. 19, p. 1, 1999.
[17] R. W. Kennard and L. A. Stone, “Computer aided design of experiments,” Technometrics, vol. 11, no. 1, pp. 137–148, 1969.
[18] R. Kohavi, “A Study of Cross-Validation and Bootstrap for Accuracy Estimation and Model Selection,” Int. Jt. Conf. Artif. Intell., vol. 14, no. 12, pp. 1137–1143, 1995.
[19] H. Li, Q. Xu, and Y. Liang, “libPLS an integrated library for partial least squares regression and discriminant analysis,” PeerJ Prepr., vol. 2, p. e190v1, 2014.
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Alrezj, O.A., Patchava, K., Benaissa, M., Alshebeili, S.A. (2018). Pre-processing to Enhance the Quantitative Analysis of Glucose from NIR and MIR Spectra. In: Eskola, H., Väisänen, O., Viik, J., Hyttinen, J. (eds) EMBEC & NBC 2017. EMBEC NBC 2017 2017. IFMBE Proceedings, vol 65. Springer, Singapore. https://doi.org/10.1007/978-981-10-5122-7_11
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